SCHEMBL7444902

SCHEMBL7444902

CCCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.86
ITGA2B P08514 16/20 0.86
PRSS1 P07477 7/20 0.41
PRSS2 P07478 7/20 0.41
PRSS3 P35030 7/20 0.41
F10 P00742 3/20 0.38
FPR2 P25090 3/20 0.38
FPR1 P21462 2/20 0.37
PLG P00747 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7452988 0.95 ITGB3 (0.83) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7450536 0.94 ITGB3 (0.82) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7452981 0.93 ITGB3 (0.81) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7450522 0.93 ITGB3 (0.81) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7854981 0.93 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7415135 0.93 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7449106 0.91 ITGB3 (0.72) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7446963 0.90 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1
Orbofiban SCHEMBL7417473 0.90 ITGB3 (0.95) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7451885 0.90 ITGB3 (0.84) ITGB3ITGA2BFPR2FPR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed